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179469-06-8 | 2-Pyridinecarboxylic acid, 6-[(diethylamino)carbonyl]-
CAS No: 179469-06-8 Catalog No: AG00270Z MDL No:
Product Description
Catalog Number:
AG00270Z
Chemical Name:
2-Pyridinecarboxylic acid, 6-[(diethylamino)carbonyl]-
CAS Number:
179469-06-8
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
IUPAC Name:
6-(diethylcarbamoyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C11H14N2O3/c1-3-13(4-2)10(14)8-6-5-7-9(12-8)11(15)16/h5-7H,3-4H2,1-2H3,(H,15,16)
InChI Key:
UYWBVTMBIJCMJO-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1cccc(n1)C(=O)O)CC
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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